2-oxo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-oxo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]-2H-1-benzopyran-3-carboxamide
2-oxo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K781-0861 |
| Compound Name: | 2-oxo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 656.62 |
| Molecular Formula: | C35 H27 F3 N4 O6 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(C1=Cc2ccccc2OC1=O)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2906 |
| logD: | 4.6466 |
| logSw: | -6.0735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.432 |
| InChI Key: | YKBSDLLFVUUXAH-UHFFFAOYSA-N |